N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)formamid

4-(Formylamino)antipyrine

HCID 72666CAS 1672-58-8
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Grundinformationen

Standard-SMILES
Cc1c(NC=O)c(=O)n(-c2ccccc2)n1C
InChIKey
WSJBSKRPKADYRQ-UHFFFAOYSA-N
Summenformel
C12H13N3O2
Durchschnittliche Molmasse
231,25 g/mol
Monoisotopische Masse
231,10077667

Namen und Bezeichner

Bevorzugter Name
4-(Formylamino)antipyrine
IUPAC
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide
Lokaler Name
N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)formamid
Englischer Name
N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)formamide
Summenformel
C12H13N3O2
Molmasse
231.25

Namen und Synonyme

4-Formylaminoantipyrine1672-58-84-(Formylamino)antipyrine63DKU1M0XKCHEBI:83526DTXSID10168241RefChem:523539DTXCID2090732N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)formamide4-Formylamino Antipyrine4-FormamidoantipyrineFormamide, N-antipyrinyl-
Weitere Namen anzeigen
4-FormylaminoantipyrinNSC 60565METAMIZOLE EP IMP AcarboxamidoantipyrineN-AntipyrinylforMaMideN-(1,5-Dimethyl-3-oxo-2-Metamizole EP Impurity AMetamizole impurity A CRS
(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)formamideN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamideMFCD00085457N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)formamideFormamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-NSC60565NSC-60565formamide, (2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-

Datenbank-Bezeichner

CAS
1672-58-8
PubChem CID
72666
DTXSID
DTXSID10168241
ChEBI
CHEBI:83526
UNII
63DKU1M0XK
EC Number
216-808-3
Nikkaji
J61.595A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0
Polarare Oberfläche (TPSA)
52,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

Collision Cross Section158.06 Ų [M+Na]+；147.56 Ų [M+H]+

Physikochemische Eigenschaften

Schmelzpunkt
189 · 189-192C
Siedepunkt
400.1 · 400.1±55.0 °C(Predicted)
Dichte
1.29 · 1.29±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand
solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H330 (95%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P264, P270, P271, P284, P301+P317, P304+P340, P316, P320, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 1 (95%)

Sicherheitsdaten

wgk
3
risk_code
20/22
hazard_code
Xn
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Acute Tox. 4 Oral

Chemie und Industrie

Pharmakologische Informationen

ATC CodeN02BB03

Verwendung und Herstellung

Use ClassificationPharmaceuticals -> Nervous System -> Analgesics -> Pyrazolones -> Transformation products

Anwendungen

VerwendenA metabolite of Dipyrone, a nonsteroidal anti-inflammatory drug.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone.

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